[Pw_forum] Phonon calculations with QE > 5.0.2

[Latévi Max LAWSON DAKU]

Dear QE users and developers,

I am trying to perform a phonon calculations on a large spin-polarized 
system,
using the PHonon code and 4 images.

I first tried to use the 5.0.2 version, but decided to stop the very 
long calculations
and restart them using the (patched) 5.0.3 version, because the 
symmetries of the
modes, expected to be A and E, were not detected.

          + eq502.scf.in.bz2: input file for the SCF calculation
          + eq.502.scf.log.bz2: output file of the phonon calculation
          + eq502.ph.in.bz2: input file for the phonon calculation
          + eq502.ph.log.bz2: the output file of the phonon calculation 
(image '0')


With the 5.0.3 version, I restarted the SCF and phonon calculations. 
While the SCF
calculations went fine, the phonon calculations seem to get stuck at the 
very
beginning: only the header of the phonon output is printed, the three 
image files
out.[1-3]_0  are empty and the_ph[0-4] directories are not created. 
Trying to
understand this issue,  I have recompiled it with the GCC compiler 
instead of the PGI
one.. without results; I also tried the trunk version... no 
improvements! I have also
attached the output of the SCF and phonon calculations with the trunk 
version of
QE:

          + gt.502.scf.log.bz2: output file of the phonon calculation
          + gt502.ph.log.bz2: the output file of the phonon calculation 
(image '0')

I have searched for illegal characters, renamed the files removing 
dashes and dots
in the names ... nothing new... I really do not understand what I kind 
of silly mistakes
I could be doing wrong in the phonon input !!!

I am therefore soliciting you for having a fresh view on my inputs and 
output. And I
thank you in advance for your suggestions/comments/criticisms... :-)

All the best,
Max




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